%chk=000047001.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047001

0 1
 O    1.114700       2.274100      0.1942000    
 O   -1.541700       1.643900      0.8069000    
 O   -3.063700       2.096600     -0.8597000    
 N    2.821200      3.3300001E-02 -0.1145000    
 C    3.821600     -0.8751000      0.4921000    
 C    3.255100      -2.306000      0.5905000    
 C    2.412400     -0.4402000      -1.448800    
 C    2.786800      -2.826800     -0.7621000    
 C    1.813700      -1.843800      -1.393900    
 C    3.306700       1.412100     -0.2221000    
 C    4.247200     -0.4320000       1.899200    
 C    2.203100       2.332600     -0.7183000    
 C   4.5600001E-02   3.116300     -0.2147000    
 C   -1.090600       2.992800      0.7822000    
 C   -2.536000       1.330500     -6.8700001E-02
 C   -2.915700     -9.9299997E-02  5.7300001E-02
 C   -4.214800     -0.4712000     -0.2219000    
 C   -1.957600      -1.011900      0.4490000    
 C   -4.571600      -1.814500     -0.1039000    
 C   -2.314600      -2.355100      0.5670000    
 C   -3.621700      -2.756400      0.2904000    
 H    4.721000     -0.9038000     -0.1388000    
 H    2.413500      -2.326900       1.295900    
 H    4.018400      -2.985900      0.9882000    
 H    3.261000     -0.4270000      -2.145500    
 H    1.621600      0.1779000      -1.880800    
 H    3.651700      -2.966500      -1.422200    
 H    2.309400      -3.805600     -0.6438000    
 H   0.8818000      -1.827300     -0.8160000    
 H    1.556300      -2.177900      -2.405500    
 H    4.182800       1.482400     -0.8781000    
 H    3.596900       1.785900      0.7651000    
 H    4.856500      -1.205400       2.380800    
 H    4.859800      0.4744000       1.874000    
 H    3.378000     -0.2468000       2.540000    
 H    2.595200       3.358100     -0.7167000    
 H    1.880000       2.132200      -1.743900    
 H   0.3904000       4.155500     -0.2548000    
 H  -0.2904000       2.810000      -1.211900    
 H  -0.7304000       3.221400       1.790900    
 H   -1.903300       3.692300      0.5561000    
 H   -4.964100      0.2533000     -0.5266000    
 H  -0.9311000     -0.7266000      0.6583000    
 H   -5.589400      -2.127000     -0.3186000    
 H   -1.573900      -3.089100      0.8707000    
 H   -3.899200      -3.802400      0.3815000    


%chk=000047001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047001

0 1
O 1.401745 2.579772 0.207449
O -1.252595 1.677397 1.175720
O -2.941996 2.074969 -0.386085
N 2.874088 0.030828 -0.626695
C 3.130565 -0.870346 0.537025
C 2.361005 -2.201171 0.328731
C 3.213710 -0.583084 -1.933717
C 2.697253 -2.877350 -1.016599
C 2.438035 -1.891005 -2.174353
C 3.393836 1.415151 -0.525553
C 2.685799 -0.224851 1.868282
C 2.338285 2.459681 -0.916779
C 0.154248 3.251749 -0.143716
C -0.809911 3.089009 1.027654
C -2.321477 1.279271 0.365709
C -2.620014 -0.174344 0.513619
C -3.760229 -0.693475 -0.153251
C -1.789066 -1.036933 1.274975
C -4.071802 -2.064796 -0.053132
C -2.103821 -2.409064 1.369331
C -3.244295 -2.924880 0.708469
H 4.224804 -1.123995 0.602222
H 1.275789 -1.977856 0.368480
H 2.597561 -2.879612 1.171761
H 4.315484 -0.794520 -2.008990
H 2.972373 0.146817 -2.730527
H 3.765204 -3.180960 -1.023067
H 2.098676 -3.799200 -1.146126
H 1.356461 -1.661873 -2.231301
H 2.744624 -2.328841 -3.144222
H 4.293292 1.559603 -1.170463
H 3.708512 1.639179 0.507467
H 2.631893 -0.998985 2.655970
H 3.379330 0.556404 2.226019
H 1.691817 0.239838 1.740499
H 2.813917 3.447663 -1.116337
H 1.800015 2.133216 -1.833174
H 0.324336 4.339634 -0.318901
H -0.285255 2.819444 -1.067208
H -0.304008 3.314744 1.979026
H -1.695753 3.732584 0.883635
H -4.380881 -0.008974 -0.740987
H -0.908694 -0.624241 1.775405
H -4.953423 -2.464110 -0.566093
H -1.461131 -3.076183 1.954179
H -3.485704 -3.991205 0.784149


